demethylmacrocin

Molecular Formula: C44H73NO17


InChI: InChI=1/C44H73NO17/c1-11-31-28(20-56-42-38(53)37(52)35(50)24(5)58-42)16-21(2)12-13-29(47)22(3)17-27(14-15-46)39(23(4)30(48)18-32(49)60-31)62-43-36(51)34(45(9)10)40(25(6)59-43)61-33-19-44(8,55)41(54)26(7)57-33/h12-13,15-16,22-28,30-31,33-43,48,50-55H,11,14,17-20H2,1-10H3/b13-12+,21-16+/t22-,23+,24-,25-,26+,27+,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40-,41+,42-,43+,44-/m1/s1

InChIKey: InChIKey=ALZAOGATQMXJKX-UQRCBBHQBW
SMILES: CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(C)=C\[C@@H]1CO[C@@H]4O[C@H](C)[C@@H](O)[C@@H](O)[C@H]4O

Names:
    C02400
    Demethylmacrocin
    demethylmacrocin
    Demethylmacrocin
    demethylmacrocin
    2'''-O-Demethyllactenocin
    2'''-O-Demethyllactenocin
    2-[(2R,3S,4E,6E,9R,11R,12S,13S,14R)-12-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-oxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-3-[[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]-1-oxacyclohexadeca-4,6-dien-11-yl]acetaldehyde
    [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl- v@xX@?5>3_

Registries:
    PubChem CID 5280512
    ChEBI 15906
    Kegg C02400
    PubChem ID 5434